github.com/OpenMS/OpenMS-1 commits | Ecosyste.ms: OpenCollective

move ffsh to util list

1b57847d2adcf333ef08ade0fd3542d70aa888f5 authored about 4 years ago by jpfeuffer <[email protected]>

Make FFSH Util

615c0a199b10c0024a1da34be9ef96a8b305c614 authored about 4 years ago by jpfeuffer <[email protected]>

some fixes of var names and strings

ba840a2c946e0a3fa79fadaff6561be7b446c11f authored about 4 years ago by jpfeuffer <[email protected]>

Merge pull request #4989 from oliveralka/test/high_res_macos

TOPPView support for HiRes displays (macOS)

120354b6d21503fabf04ce1e31b72bb8f840ce2c authored about 4 years ago by jpfeuffer <[email protected]>

code comment

1e90b043de25ae43961afe3f97ce632a135628cf authored about 4 years ago by jpfeuffer <[email protected]>

Function docu

d9e1e42cb9caf1fca10ef269c64f3788d9b04efd authored about 4 years ago by jpfeuffer <[email protected]>

Refactor and support non-release builds

We have to make sure that actually release/master git information is present now.

9a53c737745c746f8eb3b5ef7cb17e49d64f1ff2 authored about 4 years ago by jpfeuffer <[email protected]>

Update PULL_REQUEST_TEMPLATE.md (#4988)

6089d20e43906614534a2ebd0a43a759858de026 authored about 4 years ago by Timo Sachsenberg <[email protected]>

error

c414c277f87dfb223090c6af9e9cdb5c4540c78d authored about 4 years ago by jpfeuffer <[email protected]>

[DOC] Add opt-in include to display a warning and link to latest docu

554cae6c8fd363fd5ce569d50deef3492b593b94 authored about 4 years ago by jpfeuffer <[email protected]>

mixup paths

fc4ea339a8bcdf29e4c2080a6a8028fbf70426b9 authored about 4 years ago by jpfeuffer <[email protected]>

Use OpenMS version for docu, since tool version may be overwritten

333e543a10e2d2407e3756a926e90c04d14225ae authored about 4 years ago by jpfeuffer <[email protected]>

Make documentation links point to the exact version of the tool

ea2ec7b0360dab46677795fbedbad8a9be1b2c03 authored about 4 years ago by jpfeuffer <[email protected]>

Releasing version 2.6.0

ca61434b49cb6472f965bef328c97e67764a619b authored about 4 years ago by openms-jenkins-bot <[email protected]>

horrible syntax

7cdd7f48cde0dd6203ecba1d3e643ecd8729ba5c authored about 4 years ago by jpfeuffer <[email protected]>

[FIX] reapply changes from master (#4980)

* [FIX] reapply changes on master

* Update Scoring.cpp

* Update Scoring_test.cpp

* Upda...

2b76e9f832919a2586ec12d1d88d09940732cf81 authored about 4 years ago by Timo Sachsenberg <[email protected]>

first data model (incomplete)

2ee8378fbdde61267fefeb12e5579f6bd3a5b45b authored about 4 years ago by Chris Bielow <[email protected]>

Also build wheels for Release tags

c26f752f8f8d763e376c114d6c78e2c8fda2ceb3 authored about 4 years ago by jpfeuffer <[email protected]>

[FIX,TEST] Utilizing EmpiricalFormila(..) to generate IsotopeDistribution(s)

73a9fcf9d0dfe30c5e70f8b147474fdc4fb399f6 authored about 4 years ago by Ahmed Khalil <[email protected]>

Merge pull request #4973 from jpfeuffer/feat/whiteExportBG

[FEATURE] White BG during 2D export in TOPPView.

17c8bbb68bb6d44d1d49989e9c58a38901ac60a8 authored about 4 years ago by Timo Sachsenberg <[email protected]>

Update SpectrumWidget.cpp

45777a1469d191b1a69827ae49fa262b6e3840f3 authored about 4 years ago by Timo Sachsenberg <[email protected]>

Review comments

b9fac91951384e6e256318d1b44d505c0234d750 authored about 4 years ago by Julianus Pfeuffer <[email protected]>

[NOP] newline

c0065f962d91bd202b18d3d8f7fe1e28660d3c47 authored about 4 years ago by Julianus Pfeuffer <[email protected]>

update contrib to master heads

dc42b1b01944a516dc6c94574060d919a6fce687 authored about 4 years ago by Julianus Pfeuffer <[email protected]>

[FEATURE] White BG during 2D export in TOPPView.

982d8178c2b40a439cc888cee67047dfb015cd7e authored about 4 years ago by Julianus Pfeuffer <[email protected]>

[FIX] modifying code to the desired coding standard

bc2929a617568598b65729fa188a662ac54e07af authored about 4 years ago by Ahmed Khalil <[email protected]>

edge removed, polishing MS2 scoring.

3b6574847f112444766c21aa4c8bb630db377c9c authored about 4 years ago by kyowonjeong <[email protected]>

Merge pull request #4971 from bernt-matthias/topic/rm-sequest-adapter

remove last traces of SequestAdapter

5e1955dd1f07282105944d4f5e5370a2ca9b3286 authored about 4 years ago by Chris Bielow <[email protected]>

remove some traces of an apparently apsent tool

b1303f44eec1157db724303760ae9c5fb253e11b authored about 4 years ago by Matthias Bernt <[email protected]>

edge removed, polishing MS2 scoring.

19fed3c11f38d2f594b4741748594ec450bcce9f authored about 4 years ago by kyowonjeong <[email protected]>

mz to mass bin edge added in SpectrumDeconvolution.cpp

72ab53f947a1fa00281800399dbf3507b863cfd8 authored about 4 years ago by kyowonjeong <[email protected]>

edit *.plist.in

ca33c9bde5546ac6bf9aec08737e4c6ac695a518 authored about 4 years ago by oliveralka <[email protected]>

less cross-referencing

8367f2ab133ca22c70c6bc5b2c6ef484dfa9ec27 authored about 4 years ago by Chris Bielow <[email protected]>

Merge pull request #4964 from cbielow/toppview_refactor

Toppview refactor & OSW file cleanup

b904c56a437a91364130d6ababccc8483dbc4681 authored about 4 years ago by Chris Bielow <[email protected]>

fix ci

8b25d69eb0734a20355807c1615ef151cb2a659b authored about 4 years ago by Chris Bielow <[email protected]>

review comments

88df6394d353fd9495594af5876158293845f0d2 authored about 4 years ago by Chris Bielow <[email protected]>

[FIX] updating to code style, removing built-in inverseMatrix function

f20b4736826f84c8be40fc31ea2c346b2e89afad authored about 4 years ago by Ahmed Khalil <[email protected]>

Remove extra opts

63aa2a3bdb454e973d67889ebbc7026ae94ae033 authored about 4 years ago by jpfeuffer <[email protected]>

Merge pull request #4960 from poshul/ll3_modifications

Ll3 modifications

e83a6198d830636923a4799f8715fe6351c49186 authored about 4 years ago by jpfeuffer <[email protected]>

[fix] removed trailing whitespace

f7956b628c2f88866849c397d32cf9dcc58c1121 authored about 4 years ago by Samuel Wein <[email protected]>

refactor layer annotation; support TOPPView menu entries on/off based on layer type

7af741a971e5645466c43d4d6918e858545b6ff1 authored about 4 years ago by Chris Bielow <[email protected]>

Extension of FlagSet and FileTypes classes

832840ad395b9b0f345edefcd84bf71e8d9af590 authored about 4 years ago by Chris Bielow <[email protected]>

minor cleanup

cff88019798ecaec48f9eee6543d9b30f8e06399 authored about 4 years ago by Chris Bielow <[email protected]>

fix missing newline

7c8bcc906a83392d6665d6307af70f4a7fc1d888 authored about 4 years ago by Samuel Wein <[email protected]>

[fix] reverted to standard 8 module setup

0fb05319fced29ed52bd52e30cef22c33ea7e42a authored about 4 years ago by Samuel Wein <[email protected]>

[fix] reverted ADD_TO_ALL_OTHER back to normal config. Added a handler for the case where NUM_PY_MODULES==1 so that ADD_TO_ALL_OTHER doesn't get erroneously added

8a29e806874e1537cb687d4bbd3f724ba43d2e13 authored about 4 years ago by Samuel Wein <[email protected]>

[fix] fixed python errors so all tests pass under language level 3

4f46877020a296671450d26c1f5234b17ee29e06 authored about 4 years ago by Samuel Wein <[email protected]>

Merge pull request #4955 from jpfeuffer/release/2.6.0

[FIX] Small Epifany fixes

2537a5de76bfd6e6b1e19ee268d217ee08e93c77 authored about 4 years ago by Timo Sachsenberg <[email protected]>

[FIX] removing blank lines to comply with codeFactor

8b08654183ebfb6fb6fd5805a32cb02addc351f0 authored about 4 years ago by Ahmed Khalil <[email protected]>

[FIX] removing blank lines to comply with codeFactor

a59e7a120e61098cce4067cd0ce373aca39e821e authored about 4 years ago by Ahmed Khalil <[email protected]>

Merge pull request #4954 from oliveralka/fix/agm_sirius_index

AGM/SiriusAdapter - FIX (develop branch)

71c4433bc83c807220a44dc0c9e79c7706a0a366 authored about 4 years ago by Timo Sachsenberg <[email protected]>

clean up OSWFile (cleaner interface and more invariants)

ba5763f547f63d851ba1e97f99ca3268cc4d3234 authored about 4 years ago by Chris Bielow <[email protected]>

[FIX] Small Epifany fixes

b18a3715c0cf6e9822a53526996558fa7b0c9f7d authored about 4 years ago by jpfeuffer <[email protected]>

Merge pull request #4952 from oliveralka/fix/agm_sirius_index

AGM/SiriusAdapter: FIX - unidentified masses & scan index not readable

d2a0aec4ff2fbc8d9a30baec8479d4233d881a56 authored about 4 years ago by Timo Sachsenberg <[email protected]>

Update PULL_REQUEST_TEMPLATE.md

38058cb90607e684570e0973ecf3a3ba7d526f0d authored about 4 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #4950 from OpenMS/feature/merge_260

Feature/merge 260

c53be156f0660704a423a52a492c722836511414 authored about 4 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #4953 from poshul/acqFix

[fix] fixed space issue in test_AcquisitionInfo.py and added it to CmakeLists

cf10341c47df2f37ee8e55e33b8fc48631e23013 authored about 4 years ago by Timo Sachsenberg <[email protected]>

[fix] fixed space issue in test_AcquisitionInfo.py and added it to CMakeLists

f783681836957477d01f219d7a255c2348e49e51 authored about 4 years ago by Samuel Wein <[email protected]>

FIX: unidentified masses; index not readable

179fb99080b64ee5b4221aeb834a156fd8166803 authored about 4 years ago by oliveralka <[email protected]>

add test_acquisitionInfo to cmake

f34d3707db12471b75659eb1c004f01cc508a9d0 authored about 4 years ago by Samuel Wein <[email protected]>

Made changes to support compilation of pyOpenMS as a monolithic module

d5884ee9174b756ce75a3ba7fb7f7c047c185f35 authored about 4 years ago by Samuel Wein <[email protected]>

[INTERNAL] FeatureFinderIdentification: avoid reconversion to old ID formats if input is idXML

92acc129e02c93884e43f1df28b982f2edf2845f authored about 4 years ago by Hendrik Weisser <[email protected]>

Merge remote-tracking branch 'origin/release/2.6.0' into develop

2d84aec148663d1eef0a5d662167e63ca8cfa76d authored about 4 years ago by Timo Sachsenberg <[email protected]>

[TEST] updated .oms test files (IDMerger and MapAlignerIdentification tests)

06cbbe3c44836170bc7a4043af5990a7536b9abf authored about 4 years ago by Hendrik Weisser <[email protected]>

Merge pull request #4949 from cbielow/toppview_refactor

Toppview Chromatogram Speedup

9773440508b8d5ac79414c13251673aa38d40241 authored about 4 years ago by Timo Sachsenberg <[email protected]>

[API] IdentificationData renaming: MoleculeParentMatch to ParentMatch

875200cf5ddf46eadcf8caacc28f1b978569e998 authored about 4 years ago by Hendrik Weisser <[email protected]>

[API] IdentificationData renaming: updated names in comments/doc

1979ece771fe1e356c2f63dc66b426ee81f7a926 authored about 4 years ago by Hendrik Weisser <[email protected]>

[API] IdentificationData renaming: ParentMoleculeGrouping to ParentGroupSet

d35ea8d6cca834b22e0b32327f53fd6521e141e5 authored about 4 years ago by Hendrik Weisser <[email protected]>

[API] IdentificationData renaming: ParentMolecule to ParentSequence, ParentMoleculeGroup to ParentGroup

b6cd9754fbe24f05cb5fce7b97a5dabc8a5c873e authored about 4 years ago by Hendrik Weisser <[email protected]>

[API] IdentificationData renaming: MoleculeQueryMatch to InputMatch

d4f579a1fe38546dd7e055a95c36d2a1eec7f10c authored about 4 years ago by Hendrik Weisser <[email protected]>

[API] IdentificationData renaming: DataProcessingStep to ProcessingStep

b01d5cf83c243770a6fac2b35dfa87fd03f004db authored about 4 years ago by Hendrik Weisser <[email protected]>

[DOC] data flow chart for SwathWizard

556a59427efdb1e3d69404e12a4500ecf9dc93d0 authored about 4 years ago by Chris Bielow <[email protected]>

avoid intermediate painting of chrom (by addLayer without proper chrom-data being set)

900893d4f12c762089880e98b074c2cfed9dae48 authored about 4 years ago by Chris Bielow <[email protected]>

make 2D view of 500k (!) chromatograms smooth!

- from 6 seconds canvas paint time to 2ms
- selecting the currently hovered chromatogram: 2 secon...

88cc95b17c1c38b8eb7bbea215d11933016d48b0 authored about 4 years ago by Chris Bielow <[email protected]>

fix: cache on all chrom data, not just the visible stuff

08afc71f30c3a7554264feb42bf8746b31fcf065 authored about 4 years ago by Chris Bielow <[email protected]>

remove redundant code

a9b32ee90e9b6d96946c9e799ea5bd2025a4438c authored about 4 years ago by Chris Bielow <[email protected]>

[API] IdentificationData renaming: DataProcessingSoftware to ProcessingSoftware

6f2c6a7abaaa6c1efc13c2572823a15aaa9231c6 authored about 4 years ago by Hendrik Weisser <[email protected]>

[API] IdentificationData renaming: DataQuery to InputItem

7d4e7c002c249de6a19ab89cd58e326f211ca3a1 authored about 4 years ago by Hendrik Weisser <[email protected]>

Merge pull request #4943 from cbielow/toppview_refactor

Toppview refactor

7fc14ab58d7b2350f3901627e77b26b315e2ba60 authored about 4 years ago by Timo Sachsenberg <[email protected]>

remove implementation to cpp

103ee701e3fa47e577191380c8880f9dc93439fc authored about 4 years ago by Chris Bielow <[email protected]>

add comment about gfortran on mac for building CoinOR

e1c41387303a797849b0697f427cf866ca9cd458 authored about 4 years ago by jpfeuffer <[email protected]>

[FIX] compiler error abs GCC6

maybe specific combo of stdlib version and c++ std version

edecbfe6601b20f2a262651a64713539f3cfa685 authored about 4 years ago by jpfeuffer <[email protected]>

fix CI

0e76dd8cca8232ddd8d82f658e6270018569cd94 authored about 4 years ago by Chris Bielow <[email protected]>

Merge branch 'toppview_refactor' of https://github.com/cbielow/OpenMS into toppview_refactor

# Conflicts:
# src/openms_gui/source/VISUAL/SpectraViewWidget.cpp
# src/openms_gui/source/VISUAL...

345459f93225201cc8eed2b94d4eb937754fb8d5 authored about 4 years ago by Chris Bielow <[email protected]>

add a 'LayerStack' class which encapsulates addition and removal of layers, making it impossible to have an invalid `current_layer_` (as happens many times before)

48346b2683ba4820b4f30dd335f50dbfd721f37d authored about 4 years ago by Chris Bielow <[email protected]>

cache tree widget for Chromatogram data. rebuilding could be very expensive

67a4e725902eb8b5eff63fe961b9943c0c4e2250 authored about 4 years ago by Chris Bielow <[email protected]>

Merge branch 'develop' of https://github.com/OpenMS/OpenMS into idfile-integration

7ca2231cd2b565304d50d33654bec6da251e8f9e authored about 4 years ago by Hendrik Weisser <[email protected]>

Merge pull request #4940 from OpenMS/doc/ED

Update documenation for ExperimentalDesign

1c404ecf0d24c1b5fcd0b11c1322e0de6cc787d7 authored about 4 years ago by jpfeuffer <[email protected]>

Update ExperimentalDesign.h

e0be5fcc9295046885875250e4e93d3d31ea8911 authored about 4 years ago by Timo Sachsenberg <[email protected]>

Update ExperimentalDesignFile.h

8f1a1304efd9bd76cdb89320d59833ef2904b018 authored about 4 years ago by Timo Sachsenberg <[email protected]>

Update documenation for ExperimentalDesign

fb322995818e3e0e77cd607547f1d25914e4d5b2 authored about 4 years ago by Timo Sachsenberg <[email protected]>

cache tree widget for Chromatogram data. rebuilding could be very expensive

e7c1d1eeec9934ff2bec0bfab11d64ebdd04d60d authored about 4 years ago by Chris Bielow <[email protected]>

Merge pull request #4937 from jpfeuffer/feature/extraInfo

Extend OpenMSInfo (include build type, openmp info and missing infos on linux and macos)

92546ba1f7625c9e44fbb7f78ea1c0b51fa22b82 authored about 4 years ago by jpfeuffer <[email protected]>

remove win-specifics

340a47dd6a12c9034196d0785bd4b045cd729e1b authored about 4 years ago by Julianus Pfeuffer <[email protected]>

PR comments and more py fixes

5ac6a22936ca322824e592d4d10fe7c6e1f0a800 authored about 4 years ago by Julianus Pfeuffer <[email protected]>

fix more pybindings

702bf8403bd7ba0d10aedd2eafba765a92a0e784 authored about 4 years ago by Julianus Pfeuffer <[email protected]>

make default ctor public for pyopenms

93c1e9fdaa62ffbb87d95a5ce914454b846cff19 authored about 4 years ago by Julianus Pfeuffer <[email protected]>

add python bindings

bff3e58c3be5f75f4aef51244c0fd105ff6fdc93 authored about 4 years ago by Julianus Pfeuffer <[email protected]>

Refactor into class for usage in pyopenms

8b7aa61c4c449712067c000d56207e20a51a9057 authored about 4 years ago by Julianus Pfeuffer <[email protected]>

newline

091c43192ddd4eb27a459c4f8dbeefdd21c99641 authored about 4 years ago by Julianus Pfeuffer <[email protected]>